TorchMD: A deep learning framework for molecular simulations

@misc{krämer2020torchmddeeplearning,
      title={TorchMD: A deep learning framework for molecular simulations},
      author={Andreas Krämer and Gianni De Fabritiis and Cecilia Clementi and Adrià Pérez and Toni Giorgino and Stefan Doerr and Frank Noe and Maciej Majewsk},
      year={2020},
      eprint={2012.12106},
      archivePrefix={arXiv},
      primaryClass={physics.chem-ph},
      url={https://arxiv.org/abs/2012.12106},
}